5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine

C11H11BrFN3 — CID 117456786

IUPAC5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine
SMILESCCc1cc(Br)c(F)c(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C11H11BrFN3/c1-2-6-3-7(11(13)8(12)4-6)9-5-10(14)16-15-9/h3-5H,2H2,1H3,(H3,14,15,16)
InChIKeyFXAPRPHHMHLDNV-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.12
Rot. Bonds2

About 5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine

5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 117456786) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID117456786
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine
SMILESCCc1cc(Br)c(F)c(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C11H11BrFN3/c1-2-6-3-7(11(13)8(12)4-6)9-5-10(14)16-15-9/h3-5H,2H2,1H3,(H3,14,15,16)
InChIKeyFXAPRPHHMHLDNV-UHFFFAOYSA-N
XLogP3.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
CID 115111633
3-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117498031
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117350139
5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine
CID 115111632
5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine
CID 117488856
4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine
CID 117479931
5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 117437317
5-(3-ethylphenyl)-1H-pyrazol-3-amine
CID 117280888
(3-bromo-5-ethyl-2-fluorophenyl)methanamine
CID 117335693
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
2,6-dibromo-4-ethylaniline
CID 14043928

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine (CID 117456786) is 5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine is CCc1cc(Br)c(F)c(-c2cc(N)n[nH]2)c1.
What is the InChIKey of 5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is FXAPRPHHMHLDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-2-6-3-7(11(13)8(12)4-6)9-5-10(14)16-15-9/h3-5H,2H2,1H3,(H3,14,15,16).
What are the key properties of 5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine?
5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 284.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117456786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).